(3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

C18H23FN4O3S — CID 164630374

IUPAC(3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCCS(=O)(=O)c1cc(F)ccc1NC(=O)N1CCC[C@H](n2cc(C)cn2)C1
InChIInChI=1S/C18H23FN4O3S/c1-3-27(25,26)17-9-14(19)6-7-16(17)21-18(24)22-8-4-5-15(12-22)23-11-13(2)10-20-23/h6-7,9-11,15H,3-5,8,12H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyGVKUQJXRRLPTMG-HNNXBMFYSA-N
MW394.47 g/mol
LogP2.99
Rot. Bonds4

About (3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

(3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (PubChem CID 164630374) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is (3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
PubChem CID164630374
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC Name(3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCCS(=O)(=O)c1cc(F)ccc1NC(=O)N1CCC[C@H](n2cc(C)cn2)C1
InChIInChI=1S/C18H23FN4O3S/c1-3-27(25,26)17-9-14(19)6-7-16(17)21-18(24)22-8-4-5-15(12-22)23-11-13(2)10-20-23/h6-7,9-11,15H,3-5,8,12H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyGVKUQJXRRLPTMG-HNNXBMFYSA-N
XLogP2.99
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (CID 164630374) is (3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is CCS(=O)(=O)c1cc(F)ccc1NC(=O)N1CCC[C@H](n2cc(C)cn2)C1.
What is the InChIKey of (3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The InChIKey is GVKUQJXRRLPTMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c1-3-27(25,26)17-9-14(19)6-7-16(17)21-18(24)22-8-4-5-15(12-22)23-11-13(2)10-20-23/h6-7,9-11,15H,3-5,8,12H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
(3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-ethylsulfonyl-4-fluorophenyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 164630374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).